3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C20H17N3OS — CID 27702119

IUPAC3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C20H17N3OS/c24-19(10-13-23-12-9-15-3-1-2-4-18(15)23)22-17-7-5-16(6-8-17)20-21-11-14-25-20/h1-9,11-12,14H,10,13H2,(H,22,24)
InChIKeyKBBSMGXLXTXARC-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.79
Rot. Bonds5

About 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 27702119) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID27702119
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C20H17N3OS/c24-19(10-13-23-12-9-15-3-1-2-4-18(15)23)22-17-7-5-16(6-8-17)20-21-11-14-25-20/h1-9,11-12,14H,10,13H2,(H,22,24)
InChIKeyKBBSMGXLXTXARC-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 27702119) is 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is O=C(CCn1ccc2ccccc21)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is KBBSMGXLXTXARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(10-13-23-12-9-15-3-1-2-4-18(15)23)22-17-7-5-16(6-8-17)20-21-11-14-25-20/h1-9,11-12,14H,10,13H2,(H,22,24).
What are the key properties of 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 27702119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).